Acetylethylcholine Mustard Hydrochloride
[CAS# 63918-37-6]

Identification

• Name: Acetylethylcholine Mustard Hydrochloride
• Synonyms: 2-(1-Ethyl-1-Aziridin-1-Iumyl)Ethanol; 2,4,6-Trinitrobenzenesulfonate; 2-(1-Ethylethylenimin-1-Ium-1-Yl)Ethanol; 2,4,6-Trinitrobenzenesulfonate; Ethyl-Beta-Hydroxyethyl-Ethylenimonium Picrylsulfonate
• Molecular Formula: C₁₂H₁₆N₄O₁₀S
• Molecular Weight: 408.34
• CAS Registry Number: 63918-37-6 (63918-38-7)
• SMILES: C1=C([N+]([O-])=O)C=C([N+]([O-])=O)C(=C1[N+]([O-])=O)[S]([O-])(=O)=O.C([N+]2(CC2)CC)CO
• InChI: 1S/C6H3N3O9S.C6H14NO/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15;1-2-7(3-4-7)5-6-8/h1-2H,(H,16,17,18);8H,2-6H2,1H3/q;+1/p-1
• InChIKey: GUVVOTFAZHZDHR-UHFFFAOYSA-M